SCHEMBL31258456

SCHEMBL31258456

CC(C)(C)OC(=O)NCc1ccc(F)cc1C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
TP53 P04637 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NTSR1 P30989 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23980143 0.83 SSTR4 (0.46) LMNASMN1; SMN2HTTTP53ALDH1A1
SCHEMBL2527064 0.83 HPGD (0.47) LMNASMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL31258455 0.83 SMN1; SMN2 (0.51) LMNASMN1; SMN2HTTALDH1A1HSD17B10
SCHEMBL951538 0.80 KMT2A (0.59) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
SCHEMBL31258454 0.79 SMN1; SMN2 (0.53) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL16095344 0.79 KMT2A (0.60) LMNASMN1; SMN2HTTL3MBTL1THRB
SCHEMBL19716850 0.79 KMT2A (0.58) LMNASMN1; SMN2HTTL3MBTL1THRB
SCHEMBL2855372 0.78 KDM4E (0.57) SMN1; SMN2HTTL3MBTL1ALDH1A1MAPT
SCHEMBL304546 0.76 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1MAPTMAPK1
SCHEMBL14376547 0.76 HTT (0.53) SMN1; SMN2HTTL3MBTL1ALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4700019-A1 CRYSTAL FORM OF 1,5-DIHYDRO-2,4-BENZODIAZEPINE-3-ONE DERIVATIVE CITRATE, PREPARATION METHOD, AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2026-02-25 EP disclosed
WO-2024217521-A1 CRYSTAL FORM OF 1,5-DIHYDRO-2,4-BENZODIAZEPINE-3-ONE DERIVATIVE CITRATE, PREPARATION METHOD, AND USE THEREOF 江苏恩华药业股份有限公司 2024-10-24 WO disclosed